Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5ccf62eca6faca52cf3aa31776de2e9",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 102.96,
"b": 102.96,
"c": 127.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.760,1.900],
"number_observations": 1266583,
"number_observations_unique": 61850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 89556,
"number_observations_unique": 4504,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.289
},
{
"type": "R(meas)",
"value": 3.375
},
{
"type": "R(pim)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [51.760,8.500],
"number_observations": 14721,
"number_observations_unique": 784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 95.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}